3-(4,4-dimethylpentoxy)oxetane

C₁₀H₂₀O₂ — CID 118595821

About 3-(4,4-dimethylpentoxy)oxetane

3-(4,4-dimethylpentoxy)oxetane (PubChem CID 118595821) has the molecular formula C₁₀H₂₀O₂ and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(4,4-dimethylpentoxy)oxetane.

Molecular Properties

• Compound Name: 3-(4,4-dimethylpentoxy)oxetane
• PubChem CID: 118595821
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.27 g/mol
• Exact Mass: 172.15
• IUPAC Name: 3-(4,4-dimethylpentoxy)oxetane
• SMILES: CC(C)(C)CCCOC1COC1
• InChI: InChI=1S/C10H20O2/c1-10(2,3)5-4-6-12-9-7-11-8-9/h9H,4-8H2,1-3H3
• InChIKey: VFZRWSOWDUAVIA-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.27
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentoxy)oxetane?

The IUPAC name of 3-(4,4-dimethylpentoxy)oxetane (CID 118595821) is 3-(4,4-dimethylpentoxy)oxetane.

What is the SMILES notation for 3-(4,4-dimethylpentoxy)oxetane?

The canonical SMILES for 3-(4,4-dimethylpentoxy)oxetane is CC(C)(C)CCCOC1COC1.

What is the InChIKey of 3-(4,4-dimethylpentoxy)oxetane?

The InChIKey is VFZRWSOWDUAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)5-4-6-12-9-7-11-8-9/h9H,4-8H2,1-3H3.

What are the key properties of 3-(4,4-dimethylpentoxy)oxetane?

3-(4,4-dimethylpentoxy)oxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,4-dimethylpentoxy)oxetane is sourced from PubChem (CID 118595821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118595821 — identifiers, structure, computed properties (public domain)

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